1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine

C11H26N2O — CID 146666534

IUPAC1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine
SMILESCCCN([C@H](C)[C@H](C)OCC)N(C)C
InChIInChI=1S/C11H26N2O/c1-7-9-13(12(5)6)10(3)11(4)14-8-2/h10-11H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyQJVLORAETOXDHO-MNOVXSKESA-N
MW202.34 g/mol
LogP1.99
Rot. Bonds7

About 1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine

1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine (PubChem CID 146666534) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine.

Molecular Properties

Compound Name1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine
PubChem CID146666534
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine
SMILESCCCN([C@H](C)[C@H](C)OCC)N(C)C
InChIInChI=1S/C11H26N2O/c1-7-9-13(12(5)6)10(3)11(4)14-8-2/h10-11H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyQJVLORAETOXDHO-MNOVXSKESA-N
XLogP1.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine?
The IUPAC name of 1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine (CID 146666534) is 1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine.
What is the SMILES notation for 1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine?
The canonical SMILES for 1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine is CCCN([C@H](C)[C@H](C)OCC)N(C)C.
What is the InChIKey of 1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine?
The InChIKey is QJVLORAETOXDHO-MNOVXSKESA-N. The full InChI is InChI=1S/C11H26N2O/c1-7-9-13(12(5)6)10(3)11(4)14-8-2/h10-11H,7-9H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of 1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine?
1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine has a molecular weight of 202.34 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-3-ethoxybutan-2-yl]-2,2-dimethyl-1-propylhydrazine is sourced from PubChem (CID 146666534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).